2WYB
The quorum quenching N-acyl homoserine lactone acylase PvdQ with a covalently bound dodecanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-27 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 121.100, 167.100, 94.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.500 - 2.100 |
R-factor | 0.179 |
Rwork | 0.178 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.124 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.520 | 2.210 |
High resolution limit [Å] | 2.090 | 2.100 |
Rmerge | 0.120 | 0.560 |
Number of reflections | 55845 | |
<I/σ(I)> | 6.31 | 1.37 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 4.33 | 4.36 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9 | 24% PEG 6000, 100 MM BICINE PH 9.1 |